(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid

C16H28O2 — CID 10106262

IUPAC(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
SMILESCC(C)CCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
InChIKeyPKYKYVUOJCITJQ-SFECMWDFSA-N
MW252.40 g/mol
LogP4.96
Rot. Bonds11

About (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid

(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid (PubChem CID 10106262) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
PubChem CID10106262
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
SMILESCC(C)CCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
InChIKeyPKYKYVUOJCITJQ-SFECMWDFSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid?
The IUPAC name of (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid (CID 10106262) is (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid.
What is the SMILES notation for (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid?
The canonical SMILES for (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid is CC(C)CCC/C=C\CC/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid?
The InChIKey is PKYKYVUOJCITJQ-SFECMWDFSA-N. The full InChI is InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-.
What are the key properties of (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid?
(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid is sourced from PubChem (CID 10106262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).